CID 26694

Chlorfenprop

Structural Information

Molecular Formula

C₉H₈Cl₂O₂

SMILES

C1=CC(=CC=C1CC(C(=O)O)Cl)Cl

InChI

InChI=1S/C9H8Cl2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)

InChIKey

QCTALYCTVMUWPT-UHFFFAOYSA-N

Compound name

2-chloro-3-(4-chlorophenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7237
Patents: 217.99013 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.997406	139.4
[M+Na]+	240.979348	148.3
[M-H]-	216.982854	141.4
[M+NH4]+	236.023953	158.6
[M+K]+	256.953288	143.3
[M+H-H2O]+	200.987390	136.1
[M+HCOO]-	262.988331	151.7
[M+CH3COO]-	277.003981	183.3
[M+Na-2H]-	238.964796	143.1
[M]+	217.98958142	142.0
[M]-	217.99067858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe